2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E544-0016 |
| Compound Name: | 2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3cccc(c3)OC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.8892 |
| logD: | 4.8863 |
| logSw: | -4.6827 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.338 |
| InChI Key: | QUSIRAYQDJBRSH-UHFFFAOYSA-N |